2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane

C15H22N2 — CID 79117249

IUPAC2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane
SMILESCc1ccncc1C1(C2CC2)CCCCCN1
InChIInChI=1S/C15H22N2/c1-12-7-10-16-11-14(12)15(13-5-6-13)8-3-2-4-9-17-15/h7,10-11,13,17H,2-6,8-9H2,1H3
InChIKeyOCVZDUJYASNNHK-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.16
Rot. Bonds2

About 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane

2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane (PubChem CID 79117249) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane
PubChem CID79117249
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane
SMILESCc1ccncc1C1(C2CC2)CCCCCN1
InChIInChI=1S/C15H22N2/c1-12-7-10-16-11-14(12)15(13-5-6-13)8-3-2-4-9-17-15/h7,10-11,13,17H,2-6,8-9H2,1H3
InChIKeyOCVZDUJYASNNHK-UHFFFAOYSA-N
XLogP3.16
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane?
The IUPAC name of 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane (CID 79117249) is 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane.
What is the SMILES notation for 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane?
The canonical SMILES for 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane is Cc1ccncc1C1(C2CC2)CCCCCN1.
What is the InChIKey of 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane?
The InChIKey is OCVZDUJYASNNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-7-10-16-11-14(12)15(13-5-6-13)8-3-2-4-9-17-15/h7,10-11,13,17H,2-6,8-9H2,1H3.
What are the key properties of 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane?
2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane has a molecular weight of 230.35 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-methyl-3-pyridinyl)azepane is sourced from PubChem (CID 79117249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).